Geometry & MOs

Info

ID:	325087
PubChem CID:	126680505
Reduced:	SN3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	322.159375
ΔH_f, kcal/mol:	59.78
Dipole, Da:	3.62
IP(EA), eV:	-7.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(3-fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)CC)N/C=C(/C2=CC=CC=C2SC3=CC=C(C=C3)N)\N

DOS

IR

Vibrations